bis(2-oxidanylpropyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: bis(2-oxidanylpropyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: bis(2-hydroxypropyl)ammonium citrate CAS Name: bis(2-hydroxypropyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: bis(2-hydroxypropyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: bis(2-hydroxypropyl)ammonium citrate Formula: C24H53N3O13 MolecularWeight: 591.68992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC(C)O)O.CC(C[NH2+]CC(C)O)O.CC(C[NH2+]CC(C)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C[NH2+]CC(C)O)O.CC(C[NH2+]CC(C)O)O.CC(C[NH2+]CC(C)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/3C6H15NO2.C6H8O7/c3*1-5(8)3-7-4-6(2)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*5-9H,3-4H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)